methyl 2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-(3,4,5-trimethoxyanilino)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4,5-trimethoxyphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(3,4,5-trimethoxyphenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C19H22N2O5S2/c1-23-12-8-10(9-13(24-2)16(12)25-3)20-19(27)21-17-15(18(22)26-4)11-6-5-7-14(11)28-17/h8-9H,5-7H2,1-4H3,(H2,20,21,27)